SCHEMBL5118056

SCHEMBL5118056

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.51
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GRIN2B Q13224 1/20 0.46
CYP3A4 P08684 2/20 0.43
RBP4 P02753 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
FAAH O00519 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16175638 0.96 TRPV1 (0.52) TRPV1TSHRCYP2C19TRPM8ALDH1A1
SCHEMBL5130804 0.96 TRPV1 (0.53) TRPV1TSHRCYP2C19TRPM8ALDH1A1
SCHEMBL5130874 0.95 TRPV1 (0.48) TRPV1TRPM8ALDH1A1
SCHEMBL5012889 0.92 TRPV1 (0.50) TRPV1TRPM8ALDH1A1
SCHEMBL5130404 0.92 FAAH (0.51) TRPV1TSHRCYP2C19TRPM8ALDH1A1
SCHEMBL5129728 0.91 TRPV1 (0.47) TRPV1TRPM8
SCHEMBL5129811 0.91 TRPV1 (0.47) TRPV1TRPM8
SCHEMBL5130723 0.90 CNR2 (0.53) TRPV1TRPM8ALDH1A1
SCHEMBL5125805 0.90 CNR1 (0.53) TRPV1TRPM8
SCHEMBL5129092 0.90 CNR2 (0.53) TRPV1TRPM8ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI TRPV1 57/4885TSHR 3033/4885CYP2C19 2329/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.